Geometry & MOs

Info

ID:	59305
PubChem CID:	24778857
Reduced:	NPO8C46H86 (1)
Stoich.:	ABC8D46E86 (1)
Weight, g/mol:	577.374355
ΔH_f, kcal/mol:	-514.76
Dipole, Da:	14.48
IP(EA), eV:	-9.31(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-octadecanoyloxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC

DOS

IR

Vibrations